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Chemical ID: 6012994

CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)C)C(=O)c4cccc(c4)Cl

Chemical ID:

6012994

Name [?]:

3-chloro-N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)C)C(=O)c4cccc(c4)Cl

InChi [?]:

InChI=1/C30H32ClN3O2/c1-3-16-34(30(36)24-7-6-8-26(31)18-24)21-29(35)33(20-23-13-11-22(2)12-14-23)17-15-25-19-32-28-10-5-4-9-27(25)28/h4-14,18-19,32H,3,15-17,20-21H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,27,2,17,18,32,31,33,16,19,23,25,22,26,10,3,9,35,12,20,5,24,21,30,11,34,15,14,6,28,36,13,8,4,7,29/E:(11,12)(13,14)/rA:36nCCCNCCONCCCCNCCCCCCCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s24;s4;d28;s28;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₂ClN₃O₂
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7742
Area:	756.261
Solvation:	-4.13231
Coulombic:	-48.0728

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	502.047
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.37
LogP (Chemaxon):	6.36

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value